2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol

C15H17ClFNO2 — CID 54291453

IUPAC2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol
SMILESCCCCc1oc(NC)c(-c2cccc(F)c2Cl)c1O
InChIInChI=1S/C15H17ClFNO2/c1-3-4-8-11-14(19)12(15(18-2)20-11)9-6-5-7-10(17)13(9)16/h5-7,18-19H,3-4,8H2,1-2H3
InChIKeyRXUGJQGTHMLDKW-UHFFFAOYSA-N
MW297.76 g/mol
LogP4.83
Rot. Bonds5

About 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol

2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol (PubChem CID 54291453) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol.

Molecular Properties

Compound Name2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol
PubChem CID54291453
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC Name2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol
SMILESCCCCc1oc(NC)c(-c2cccc(F)c2Cl)c1O
InChIInChI=1S/C15H17ClFNO2/c1-3-4-8-11-14(19)12(15(18-2)20-11)9-6-5-7-10(17)13(9)16/h5-7,18-19H,3-4,8H2,1-2H3
InChIKeyRXUGJQGTHMLDKW-UHFFFAOYSA-N
XLogP4.83
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol?
The IUPAC name of 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol (CID 54291453) is 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol.
What is the SMILES notation for 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol?
The canonical SMILES for 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol is CCCCc1oc(NC)c(-c2cccc(F)c2Cl)c1O.
What is the InChIKey of 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol?
The InChIKey is RXUGJQGTHMLDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c1-3-4-8-11-14(19)12(15(18-2)20-11)9-6-5-7-10(17)13(9)16/h5-7,18-19H,3-4,8H2,1-2H3.
What are the key properties of 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol?
2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol has a molecular weight of 297.76 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(2-chloro-3-fluorophenyl)-5-(methylamino)furan-3-ol is sourced from PubChem (CID 54291453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).